REMARK  Name = BDB032869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.096   0.513  -0.061  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.198   0.264   0.727  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.136   0.268   1.733  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.023   0.383  -1.278  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.416   0.511   0.220  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.141   0.913   0.684  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.026   1.692   1.851  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.162   2.033   2.583  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.414   1.606   2.152  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.541   0.856   0.979  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -3.333  -1.362  -2.934  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.642  -0.732  -1.599  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.516  -0.210  -0.996  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -1.638  -0.290  -1.515  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -4.788  -0.709  -1.164  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.402  -0.110   0.200  0.00  0.00    +0.165 A 
ATOM     17  S   LIG    1        3.597  -0.446   1.373  0.00  0.00    -0.048 S 
ATOM     18  C   LIG    1        4.709  -0.803   0.113  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        4.085  -0.637  -1.106  0.00  0.00    +0.133 A 
ATOM     20  N   LIG    1        2.764  -0.238  -1.049  0.00  0.00    -0.232 NA
BRANCH  18  21
ATOM     21  C   LIG    1        6.099  -1.216   0.399  0.00  0.00    +0.425 C 
ATOM     22  F   LIG    1        6.780  -0.269   1.093  0.00  0.00    -0.165 F 
ATOM     23  F   LIG    1        6.153  -2.358   1.130  0.00  0.00    -0.165 F 
ATOM     24  F   LIG    1        6.805  -1.448  -0.738  0.00  0.00    -0.165 F 
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4